6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one

C15H19N5O — CID 135454579

IUPAC6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(N3CCCCC3)cc2)[nH]c1=O
InChIInChI=1S/C15H19N5O/c1-11-14(21)17-15(19-18-11)16-12-5-7-13(8-6-12)20-9-3-2-4-10-20/h5-8H,2-4,9-10H2,1H3,(H2,16,17,19,21)
InChIKeyWPWUTDOXICWBIH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.21
Rot. Bonds3

About 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one

6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one (PubChem CID 135454579) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one
PubChem CID135454579
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(N3CCCCC3)cc2)[nH]c1=O
InChIInChI=1S/C15H19N5O/c1-11-14(21)17-15(19-18-11)16-12-5-7-13(8-6-12)20-9-3-2-4-10-20/h5-8H,2-4,9-10H2,1H3,(H2,16,17,19,21)
InChIKeyWPWUTDOXICWBIH-UHFFFAOYSA-N
XLogP2.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
3-(Phenylamino)-1,2,4-triazin-5-ol
CID 135439726
2-{[4-(dimethylamino)phenyl]amino}-6-methyl-4(3H)-pyrimidinone
CID 135459603
N-[4-(piperidylcarbonylamino)phenyl]acetamide
CID 646871
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135417602
3-[(4-anilinophenyl)amino]-1,2,4-triazin-5(4H)-one
CID 135455166
5,6-dimethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135465150
4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one
CID 737018
4-Phenylamino-6-piperidin-1-yl-1H-[1,3,5]triazin-2-one
CID 135473408
6-methyl-3-(4-phenyl-1-piperazinyl)-1,2,4-triazin-5(4H)-one
CID 135427810
2-{[4-(1-piperidinyl)phenyl]amino}-6-propyl-4(3H)-pyrimidinone
CID 135509384
3-{[4-(Dimethylamino)phenyl]amino}-1,2,4-triazin-5-ol
CID 135652640

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one (CID 135454579) is 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one is Cc1nnc(Nc2ccc(N3CCCCC3)cc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one?
The InChIKey is WPWUTDOXICWBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-14(21)17-15(19-18-11)16-12-5-7-13(8-6-12)20-9-3-2-4-10-20/h5-8H,2-4,9-10H2,1H3,(H2,16,17,19,21).
What are the key properties of 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one?
6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one has a molecular weight of 285.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-piperidin-1-ylanilino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135454579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).